Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Growth hormone-releasing hormone receptor' and Ligand = 'BDBM50004970'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Growth hormone-releasing hormone receptor (Rattus norvegicus)	BDBM50004970 (CHEMBL438545 | GRF-analogues) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O Show InChI InChI=1S/C146H241N43O40S/c1-20-76(13)114(187-120(206)80(17)165-130(216)103(66-111(199)200)175-119(205)78(15)164-121(207)87(149)62-83-39-43-85(193)44-40-83)142(228)182-101(63-82-32-23-22-24-33-82)136(222)189-116(81(18)192)143(229)183-102(65-109(152)197)135(221)185-106(70-191)139(225)179-100(64-84-41-45-86(194)46-42-84)134(220)172-92(38-31-56-162-146(158)159)124(210)171-90(35-26-28-53-148)129(215)186-113(75(11)12)140(226)181-96(58-71(3)4)122(208)163-68-110(198)167-93(47-49-107(150)195)126(212)177-99(61-74(9)10)133(219)184-105(69-190)138(224)166-79(16)118(204)169-91(37-30-55-161-145(156)157)123(209)170-89(34-25-27-52-147)125(211)176-98(60-73(7)8)132(218)178-97(59-72(5)6)131(217)173-94(48-50-108(151)196)127(213)180-104(67-112(201)202)137(223)188-115(77(14)21-2)141(227)174-95(51-57-230-19)128(214)168-88(117(153)203)36-29-54-160-144(154)155/h22-24,32-33,39-46,71-81,87-106,113-116,190-194H,20-21,25-31,34-38,47-70,147-149H2,1-19H3,(H2,150,195)(H2,151,196)(H2,152,197)(H2,153,203)(H,163,208)(H,164,207)(H,165,216)(H,166,224)(H,167,198)(H,168,214)(H,169,204)(H,170,209)(H,171,210)(H,172,220)(H,173,217)(H,174,227)(H,175,205)(H,176,211)(H,177,212)(H,178,218)(H,179,225)(H,180,213)(H,181,226)(H,182,228)(H,183,229)(H,184,219)(H,185,221)(H,186,215)(H,187,206)(H,188,223)(H,189,222)(H,199,200)(H,201,202)(H4,154,155,160)(H4,156,157,161)(H4,158,159,162)/t76-,77-,78-,79-,80-,81+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,113-,114-,115-,116-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Notre-Dame Hospital Research Curated by ChEMBL					Assay Description Compound was tested to Inhibit [125I]-Growth hormone-releasing factor in rat adenopituitary homogenates				J Med Chem 35: 1864-9 (1992) BindingDB Entry DOI: 10.7270/Q2Z0373P
					More data for this Ligand-Target Pair